Information card for entry 7122626

Structure parameters

• Chemical name: 2,3-bis(4-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)phenyl)quinoxaline
• Formula: C11.33 H9.33 N0.89 O0.22
• Calculated formula: C11.3333 H9.33333 N0.888889 O0.222222
• Title of publication: An iminodibenzyl-quinoxaline-iminodibenzyl scaffold as a mechanochromic and dual emitter: donor and bridge effects on optical properties.
• Authors of publication: Pashazadeh, Ramin; Pander, Piotr; Bucinskas, Audrius; Skabara, Peter J.; Dias, Fernando B.; Grazulevicius, Juozas V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 98
• Pages of publication: 13857 - 13860
• a: 11.1633 ± 0.0011 Å
• b: 12.2381 ± 0.0014 Å
• c: 15.3155 ± 0.0016 Å
• α: 102.079 ± 0.009°
• β: 93.931 ± 0.009°
• γ: 93.152 ± 0.009°
• Cell volume: 2036.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1725
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No